1R4Z
 
 | | Bacillus subtilis lipase A with covalently bound Rc-IPG-phosphonate-inhibitor | | Descriptor: | Lipase, [(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE | | Authors: | Droege, M.J, Van Pouderoyen, G, Vrenken, T.E, Rueggeberg, C.J, Reetz, M.T, Dijkstra, B.W, Quax, W.J. | | Deposit date: | 2003-10-09 | | Release date: | 2004-10-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Directed Evolution of Bacillus subtilis Lipase A by Use of Enantiomeric Phosphonate Inhibitors: Crystal Structures and Phage Display Selection
Chembiochem, 7, 2005
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5GKW
 | | crystal structure of SZ529 complex with (R,R)-cyclopentanediol | | Descriptor: | (1~{R},2~{R})-cyclopentane-1,2-diol, Limonene-1,2-epoxide hydrolase | | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | | Deposit date: | 2016-07-07 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | crystal structure of SZ529 complex with (R,R)-cyclopentanediol
To Be Published
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3QZU
 | | Crystal structure of Bacillus subtilis Lipase A 7-fold mutant; the outcome of directed evolution towards thermostability | | Descriptor: | CHLORIDE ION, GLYCEROL, Lipase estA, ... | | Authors: | Pijning, T, Augustyniak, W, Reetz, M.T, Dijkstra, B.W. | | Deposit date: | 2011-03-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: Factors contributing to increased activity retention.
Protein Sci., 21, 2012
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5YAO
 | | The complex structure of SZ529 and expoxid | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION | | Authors: | Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T. | | Deposit date: | 2017-09-01 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
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5YNG
 | | Crystal structure of SZ348 in complex with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ... | | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | | Deposit date: | 2017-10-24 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
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5YQT
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H. | | Deposit date: | 2017-11-07 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
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5JPU
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase | | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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5JPP
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 | | Descriptor: | limonene epoxide hydrolase | | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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4XBX
 | | Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH | | Descriptor: | Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XBT
 | | Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XDV
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol | | Descriptor: | (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-20 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XBY
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XDW
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH | | Descriptor: | Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-20 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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5CK6
 | | Crystal structure of SZ348 in complex with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ... | | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | | Deposit date: | 2015-07-15 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of SZ348 in complex with cyclopentene oxide
To Be Published
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5CLK
 | | Crystal structure of SZ348 in complex with S,S-cyclohexanediol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, CHLORIDE ION, Limonene-1,2-epoxide hydrolase, ... | | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal structure of SZ348 in complex with S,S-cyclohexanediol
To Be Published
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5CF1
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5CF2
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1R50
 | | Bacillus subtilis lipase A with covalently bound Sc-IPG-phosphonate-inhibitor | | Descriptor: | Lipase, [(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE | | Authors: | Droege, M.J, Van Pouderoyen, G, Vrenken, T.E, Rueggeberg, C.J, Reetz, M.T, Dijkstra, B.W, Quax, W.J. | | Deposit date: | 2003-10-09 | | Release date: | 2004-10-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Directed Evolution of Bacillus subtilis Lipase A by Use of Enantiomeric Phosphonate Inhibitors: Crystal Structures and Phage Display Selection
Chembiochem, 7, 2005
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3G02
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3G0I
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5OG9
 | | The BM3 mutant WIFI-WC heme domain in complex with testosterone | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gamble, C, Munro, A.W, Leys, D. | | Deposit date: | 2017-07-12 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution
To Be Published
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7XEE
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ... | | Authors: | Qu, G, Li, X, Sun, Z.T. | | Deposit date: | 2022-03-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.877 Å) | | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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7XEF
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Limonene-1,2-epoxide hydrolase, ... | | Authors: | Qu, G, Li, X, Sun, Z.T. | | Deposit date: | 2022-03-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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7Y9J
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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